[(1S)-1-[(2S)-4-butyl-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium

Systemtic Name: [(1S)-1-[(2S)-4-butyl-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1S)-1-[(2S)-4-butyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1S)-1-[(2S)-4-butyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1S)-1-[(2S)-4-butyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1S)-1-[(2S)-4-butyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(COC)[NH3+])OC(C1=O)CC

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)[C@@H](COC)[NH3+])O[C@H](C1=O)CC

InChI

InChI=1S/C17H26N2O3/c1-4-6-9-19-14-10-12(13(18)11-21-3)7-8-16(14)22-15(5-2)17(19)20/h7-8,10,13,15H,4-6,9,11,18H2,1-3H3/p+1/t13-,15+/m1/s1